![C33H39N5O6 L-ornithinamide, N-[(9h-fluoren-9-ylmethoxy) karbonil] -l-valyl-n5- (aminocarbonyl) -n- [4- (hydroxymethyl) fenil]-(9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C33H39N5O6 L-ornithinamide, N-[(9h-fluoren-9-ylmethoxy) carbonyl] -l-valyl-n5- (aminocarbonyl) -n- [4- (hydroxymethyl) phenyl]-(9ci, ACI) Fenikal (hydroxymethyl)-(9ci, ACI)](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide.jpg)
C33H39N5O6 L-ornithinamide, N-[(9h-fluoren-9-ylmethoxy) karbonil] -l-valyl-n5- (aminocarbonyl) -n- [4- (hydroxymethyl) fenil]-(9ci, ACI)
| Sifat fisik utama | Nilai | Kondisi |
| Berat molekul | 601.69 | - |
| Titik didih (diprediksi) | 914.2 ± 65,0 ° C. | Tekan: 760 Torr |
| Kepadatan (diprediksi) | 1.276 ± 0,06 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| pKa (diprediksi) | 10,63 ± 0,46 | Sebagian besar suhu asam: 25 ° C |
Senyum kanonik O = C (OCC1C = 2C = CC = CC2C = 3C = CC = CC31) NC (C (= O) NC (C (= O) NC4 = CC = C (C = C4) CCCNC (= O) N) C (C) C.
Senyum isomerik C (OC (n [c@h] (C (n [c@h] (c (nc1 = cc = c (co) c = c1) = o) cccnc (n) = o) = o) [c@h] (c) = o) c2c = 3c (c = 4c2 = cc = cc4) = cc = c2c = 3c (c = 4c2 = cc = cc4) = cc = cc3
Inci
Inchi = 1S/C33H39N5O6/C1-20 (2) 29 (38-33 (43) 44-19-27-25-10-5-3-8-23 (25) 24-9-4-6-11-26 (24) 27) 31 (41) 37-28 (12-7-17-35-35-35-35 (24) (41) (41) 37-28 (12-7-17-17-35-35-35 ( 32(34)42)30(40)36-22-15-13-21(18-39)14-16-22/h3-6,8-11,13-16,20,27-29,39H,7,12,17-19H2,1-2H3,(H,36,40)(H,37,41)(H,38,43)(H3,34,3
5,42)/t28-, 29-/m0/s1
Kunci Inchi
Dalmazhdnfcdrp-vmprefpwsa-n
1 nama lain untuk zat ini
N-[(9h-fluoren-9-ylmethoxy) carbonyl] -l-valyl-n5- (aminocarbonyl) -n- [4- (hydroxymethyl) fenil] -l-ornithinamide (ACI)
Spektrum tersedia
1H nmr
13C NMR
| Properti tersedia |
| Biologis |
| Kimia |
| Kepadatan |
| Lipinski |
| Terkait struktur |
| Panas |
Biologis
| Milik | Nilai | Kondisi | Sumber |
| Faktor biokonsentrasi | 809 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 912 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 923 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 924 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 924 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 924 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 924 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 922 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 903 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 750 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Kimia
| Milik | Nilai | Kondisi | Sumber |
| Koc | 4040 | pH 1; Temp: 25 ° C. | (1) ACD |
| Koc | 4550 | pH 2; Temp: 25 ° C. | (1) ACD |
| Koc | 4610 | pH 3; Temp: 25 ° C. | (1) ACD |
| Koc | 4620 | pH 4; Temp: 25 ° C. | (1) ACD |
| Koc | 4620 | pH 5; Temp: 25 ° C. | (1) ACD |
| Koc | 4620 | pH 6; Temp: 25 ° C. | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| Koc | 4620 | pH 7; Temp: 25 ° C. | (1) ACD |
| Koc | 4610 | pH 8; Temp: 25 ° C. | (1) ACD |
| Koc | 4510 | pH 9; Temp: 25 ° C. | (1) ACD |
| Koc | 3740 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 4.15 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 4.20 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | 4.20 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | 4.20 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 4.21 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 4.21 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 4.20 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 4.20 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 4.19 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 4.11 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 4,206 ± 0,767 | Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik massa | 1,7 x 10-4 g/L | Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 2.0 x 10-4 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1,7 x 10-4 g/L | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1,7 x 10-4 g/L | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1,7 x 10-4 g/L | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1,7 x 10-4 g/L | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1,7 x 10-4 g/L | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1,7 x 10-4 g/L | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1,7 x 10-4 g/L | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1,7 x 10-4 g/L | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 2.1 x 10-4 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1,7 x 10-4 g/L | Air PH 7.00 yang tidak terikat; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 2,9 x 10-7 mol/L | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3,3 x 10-7 mol/L | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2,9 x 10-7 mol/L | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2,9 x 10-7 mol/L | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2,9 x 10-7 mol/L | pH 4; Temp: 25 ° C. | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| Kelarutan molar | 2,9 x 10-7 mol/L | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2,9 x 10-7 mol/L | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2,9 x 10-7 mol/L | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2,9 x 10-7 mol/L | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2,9 x 10-7 mol/L | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3,5 x 10-7 mol/L | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2,9 x 10-7 mol/L | Air PH 7.00 yang tidak terikat; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 601.69 | ||
| PKA | 10,63 ± 0,46 | Sebagian besar suhu asam: 25 ° C | (1) ACD |
| PKA | 0,13 ± 0,50 | Paling Basa Temp: 25 ° C | (1) ACD |
| Tekanan uap | 0 Torr | Temp: 25 ° C. | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Kepadatan
| Milik | Nilai | Kondisi | Sumber |
| Kepadatan | 1.276 ± 0,06 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Volume molar | 471.2 ± 3,0 cm3/mol | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Milik | Nilai | Kondisi | Sumber |
| Ikatan yang dapat diputar secara bebas | 15 | (1) ACD | |
| H akseptor | 11 | (1) ACD | |
| H donor | 7 | (1) ACD | |
| H donor/jumlah akseptor | 18 | (1) ACD | |
| logp | 4,206 ± 0,767 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 601.69 |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Terkait struktur
| Milik | Nilai | Kondisi | Sumber |
| Area Permukaan Kutub | 172 A2 | (1) ACD | |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Panas
| Milik | Nilai | Kondisi | Sumber |
| Titik didih | 914.2 ± 65,0 ° C. | Tekan: 760 Torr | (1) ACD |
| Entalpi penguapan | 139.25 ± 3,0 kJ/mol | Tekan: 760 Torr | (1) ACD |
| Titik nyala | 506.7 ± 34.3 ° C. | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Spektrum tersedia
1H nmr
13C NMR
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